CID 3614545

22116-33-2

Structural Information

Molecular Formula
C9H12FNO
SMILES
C1=CC(=CC=C1CNCCO)F
InChI
InChI=1S/C9H12FNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-4,11-12H,5-7H2
InChIKey
KWEPMOQQKUYWIN-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

169.09029 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 133.7
[M+Na]+ 192.07951 140.8
[M-H]- 168.08301 134.7
[M+NH4]+ 187.12411 153.4
[M+K]+ 208.05345 138.0
[M+H-H2O]+ 152.08755 127.1
[M+HCOO]- 214.08849 157.0
[M+CH3COO]- 228.10414 179.4
[M+Na-2H]- 190.06496 140.5
[M]+ 169.08974 131.7
[M]- 169.09084 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe